public class RearrangementChargeMechanism extends Object implements IReactionMechanism
This mechanism displaces the charge(radical, charge + or charge -) because of
a double bond which is associated.
It returns the reaction mechanism which has been cloned the IAtomContainer
.
This reaction could be represented as [A*]-Y=Z => A=Z-[Y*]
Constructor and Description |
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RearrangementChargeMechanism() |
Modifier and Type | Method and Description |
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IReaction |
initiate(IAtomContainerSet atomContainerSet,
ArrayList<IAtom> atomList,
ArrayList<IBond> bondList)
Initiates the process for the given mechanism.
|
public IReaction initiate(IAtomContainerSet atomContainerSet, ArrayList<IAtom> atomList, ArrayList<IBond> bondList) throws CDKException
initiate
in interface IReactionMechanism
atomContainerSet
- atomList
- The list of atoms taking part in the mechanism. Only allowed two three.
The first atom is the atom which must contain the charge to be moved, the second
is the atom which is in the middle and the third is the atom which acquires the new chargebondList
- The list of bonds taking part in the mechanism. Only allowed two bond.
The first bond is the bond to increase the order and the second is the bond
to decrease the order
It is the bond which is movedCDKException
- if an error occurs during the reaction process.
See documentation for individual reaction processesCopyright © 2021. All rights reserved.